N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide

C20H21N7OS — CID 58081335

IUPACN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cc3ccsc3c(N)n2)c1
InChIInChI=1S/C20H21N7OS/c1-11-5-17(21)25-12(2)16(11)8-23-20(28)14-7-24-27(9-14)10-15-6-13-3-4-29-18(13)19(22)26-15/h3-7,9H,8,10H2,1-2H3,(H2,21,25)(H2,22,26)(H,23,28)
InChIKeyDZSUGJUGHRYZIA-UHFFFAOYSA-N
MW407.50 g/mol
LogP2.65
Rot. Bonds5

About N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide

N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide (PubChem CID 58081335) has the molecular formula C20H21N7OS and a molecular weight of 407.50 g/mol. Its IUPAC name is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide
PubChem CID58081335
Molecular FormulaC20H21N7OS
Molecular Weight407.50 g/mol
Exact Mass407.15
IUPAC NameN-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cc3ccsc3c(N)n2)c1
InChIInChI=1S/C20H21N7OS/c1-11-5-17(21)25-12(2)16(11)8-23-20(28)14-7-24-27(9-14)10-15-6-13-3-4-29-18(13)19(22)26-15/h3-7,9H,8,10H2,1-2H3,(H2,21,25)(H2,22,26)(H,23,28)
InChIKeyDZSUGJUGHRYZIA-UHFFFAOYSA-N
XLogP2.65
TPSA124.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide (CID 58081335) is N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide is Cc1cc(N)nc(C)c1CNC(=O)c1cnn(Cc2cc3ccsc3c(N)n2)c1.
What is the InChIKey of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is DZSUGJUGHRYZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7OS/c1-11-5-17(21)25-12(2)16(11)8-23-20(28)14-7-24-27(9-14)10-15-6-13-3-4-29-18(13)19(22)26-15/h3-7,9H,8,10H2,1-2H3,(H2,21,25)(H2,22,26)(H,23,28).
What are the key properties of N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide?
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 2.65, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(7-aminothieno[2,3-c]pyridin-5-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 58081335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).