N-[2-(1H-indol-3-yl)ethyl]-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide

C23H24N6O2 — CID 137049189

IUPACN-[2-(1H-indol-3-yl)ethyl]-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CCc2c[nH]c3ccccc23)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C23H24N6O2/c1-14-18(13-25-29(14)23-26-20-9-5-7-17(20)21(30)27-23)22(31)28(2)11-10-15-12-24-19-8-4-3-6-16(15)19/h3-4,6,8,12-13,24H,5,7,9-11H2,1-2H3,(H,26,27,30)
InChIKeyDTFYVPQGYVIKJQ-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.55
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide

N-[2-(1H-indol-3-yl)ethyl]-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide (PubChem CID 137049189) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide
PubChem CID137049189
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)N(C)CCc2c[nH]c3ccccc23)cnn1-c1nc2c(c(=O)[nH]1)CCC2
InChIInChI=1S/C23H24N6O2/c1-14-18(13-25-29(14)23-26-20-9-5-7-17(20)21(30)27-23)22(31)28(2)11-10-15-12-24-19-8-4-3-6-16(15)19/h3-4,6,8,12-13,24H,5,7,9-11H2,1-2H3,(H,26,27,30)
InChIKeyDTFYVPQGYVIKJQ-UHFFFAOYSA-N
XLogP2.55
TPSA99.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 168007913
CID 168007913
CID 42635854
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CID 42635944
CID 42635944
CID 44596891
CID 44596891
CID 44570222
CID 44570222
CID 6875058
CID 6875058
CID 42635906
CID 42635906
CID 42635949
CID 42635949
CID 42635982
CID 42635982
CID 42635983
CID 42635983
CID 57399465
CID 57399465
CID 66720314
CID 66720314

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide (CID 137049189) is N-[2-(1H-indol-3-yl)ethyl]-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide is Cc1c(C(=O)N(C)CCc2c[nH]c3ccccc23)cnn1-c1nc2c(c(=O)[nH]1)CCC2.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide?
The InChIKey is DTFYVPQGYVIKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-14-18(13-25-29(14)23-26-20-9-5-7-17(20)21(30)27-23)22(31)28(2)11-10-15-12-24-19-8-4-3-6-16(15)19/h3-4,6,8,12-13,24H,5,7,9-11H2,1-2H3,(H,26,27,30).
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide?
N-[2-(1H-indol-3-yl)ethyl]-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-N,5-dimethyl-1-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 137049189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).