5-[(Z)-[2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-6-oxo-7H-cyclopenta[d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methoxy-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide — IUPAC name, SMILES, InChIKey & properties

Name: 5-[(Z)-[2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-6-oxo-7H-cyclopenta[d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methoxy-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 5-[(Z)-[2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-6-oxo-7H-cyclopenta[d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methoxy-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide

5-[(Z)-[2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-6-oxo-7H-cyclopenta[d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methoxy-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide (PubChem CID 123192312) has the molecular formula C55H65Cl4N15O5 and a molecular weight of 1158.04 g/mol. Its IUPAC name is 5-[(Z)-[2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-6-oxo-7H-cyclopenta[d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methoxy-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name	5-[(Z)-[2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-6-oxo-7H-cyclopenta[d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methoxy-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
PubChem CID	123192312
Molecular Formula	C55H65Cl4N15O5
Molecular Weight	1158.04 g/mol
Exact Mass	1155.40
IUPAC Name	5-[(Z)-[2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-6-oxo-7H-cyclopenta[d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methoxy-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide
SMILES	COc1[nH]c(C)c(C(=O)NCCN2CCCC2)c1C.Cc1cnc(CC2C(=O)/C(=C\c3[nH]c(C)c(C(=O)NCCN4CCCC4)c3C)c3c(Cl)nc(N)nc32)c(Cl)c1.Cc1cnc(CN2C(=O)Cc3c(Cl)nc(N)nc32)c(Cl)c1
InChI	InChI=1S/C28H31Cl2N7O2.C14H23N3O2.C13H11Cl2N5O/c1-14-10-19(29)21(33-13-14)12-18-24-23(26(30)36-28(31)35-24)17(25(18)38)11-20-15(2)22(16(3)34-20)27(39)32-6-9-37-7-4-5-8-37;1-10-12(11(2)16-14(10)19-3)13(18)15-6-9-17-7-4-5-8-17;1-6-2-8(14)9(17-4-6)5-20-10(21)3-7-11(15)18-13(16)19-12(7)20/h10-11,13,18,34H,4-9,12H2,1-3H3,(H,32,39)(H2,31,35,36);16H,4-9H2,1-3H3,(H,15,18);2,4H,3,5H2,1H3,(H2,16,18,19)/b17-11-;;
InChIKey	ACHJYSBQAKEULV-LIHJRMICSA-N
XLogP	7.91
TPSA	272.25 Å²
H-Bond Donors	6
H-Bond Acceptors	15
Rotatable Bonds	14
Heavy Atoms	79
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1158.04
LogP ≤ 5	7.91
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[(Z)-[2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-6-oxo-7H-cyclopenta[d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methoxy-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-[2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-6-oxo-7H-cyclopenta[d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methoxy-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide?

The IUPAC name of 5-[(Z)-[2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-6-oxo-7H-cyclopenta[d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methoxy-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide (CID 123192312) is 5-[(Z)-[2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-6-oxo-7H-cyclopenta[d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methoxy-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide.

What is the SMILES notation for 5-[(Z)-[2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-6-oxo-7H-cyclopenta[d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methoxy-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide?

The canonical SMILES for 5-[(Z)-[2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-6-oxo-7H-cyclopenta[d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methoxy-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide is COc1[nH]c(C)c(C(=O)NCCN2CCCC2)c1C.Cc1cnc(CC2C(=O)/C(=C\c3[nH]c(C)c(C(=O)NCCN4CCCC4)c3C)c3c(Cl)nc(N)nc32)c(Cl)c1.Cc1cnc(CN2C(=O)Cc3c(Cl)nc(N)nc32)c(Cl)c1.

What is the InChIKey of 5-[(Z)-[2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-6-oxo-7H-cyclopenta[d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methoxy-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide?

The InChIKey is ACHJYSBQAKEULV-LIHJRMICSA-N. The full InChI is InChI=1S/C28H31Cl2N7O2.C14H23N3O2.C13H11Cl2N5O/c1-14-10-19(29)21(33-13-14)12-18-24-23(26(30)36-28(31)35-24)17(25(18)38)11-20-15(2)22(16(3)34-20)27(39)32-6-9-37-7-4-5-8-37;1-10-12(11(2)16-14(10)19-3)13(18)15-6-9-17-7-4-5-8-17;1-6-2-8(14)9(17-4-6)5-20-10(21)3-7-11(15)18-13(16)19-12(7)20/h10-11,13,18,34H,4-9,12H2,1-3H3,(H,32,39)(H2,31,35,36);16H,4-9H2,1-3H3,(H,15,18);2,4H,3,5H2,1H3,(H2,16,18,19)/b17-11-;;.

What are the key properties of 5-[(Z)-[2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-6-oxo-7H-cyclopenta[d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methoxy-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide?

Where does this data come from?

All data for 5-[(Z)-[2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-6-oxo-7H-cyclopenta[d]pyrimidin-5-ylidene]methyl]-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide;2-amino-4-chloro-7-[(3-chloro-5-methyl-2-pyridinyl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;5-methoxy-2,4-dimethyl-N-(2-pyrrolidin-1-ylethyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 123192312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).