N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

C19H19N7O2S — CID 37141769

IUPACN-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1
InChIInChI=1S/C19H19N7O2S/c1-9(2)26-17-12(7-22-26)4-13(10(3)23-17)18(28)25-19-24-15(8-29-19)11-5-14(16(20)27)21-6-11/h4-9,21H,1-3H3,(H2,20,27)(H,24,25,28)
InChIKeyMNCNUSPMDFDOSM-UHFFFAOYSA-N
MW409.48 g/mol
LogP3.12
Rot. Bonds5

About N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide

N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 37141769) has the molecular formula C19H19N7O2S and a molecular weight of 409.48 g/mol. Its IUPAC name is N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID37141769
Molecular FormulaC19H19N7O2S
Molecular Weight409.48 g/mol
Exact Mass409.13
IUPAC NameN-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1
InChIInChI=1S/C19H19N7O2S/c1-9(2)26-17-12(7-22-26)4-13(10(3)23-17)18(28)25-19-24-15(8-29-19)11-5-14(16(20)27)21-6-11/h4-9,21H,1-3H3,(H2,20,27)(H,24,25,28)
InChIKeyMNCNUSPMDFDOSM-UHFFFAOYSA-N
XLogP3.12
TPSA131.58 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.48
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 41487402
4-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 37139611
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78845129
4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 38151212
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 87045057
4-[2-[(3,5-dichlorobenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 46539593
4-[2-[(2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 37141646
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 78845131
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 37029223
4-[2-[(5-bromo-2-chlorobenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 30658540
4-[2-[(5-chloro-2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 30710663
4-[2-[(2-methylsulfanylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 47152417

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide (CID 37141769) is N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc(-c2c[nH]c(C(N)=O)c2)cs1.
What is the InChIKey of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is MNCNUSPMDFDOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O2S/c1-9(2)26-17-12(7-22-26)4-13(10(3)23-17)18(28)25-19-24-15(8-29-19)11-5-14(16(20)27)21-6-11/h4-9,21H,1-3H3,(H2,20,27)(H,24,25,28).
What are the key properties of N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide?
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 409.48 g/mol, XLogP of 3.12, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-6-methyl-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 37141769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).