4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(furan-2-ylmethyl)butanamide

C21H23N5O2 — CID 20948419

IUPAC4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(furan-2-ylmethyl)butanamide
SMILESCc1cc(C)c2c(-n3cccc3)nn(CCCC(=O)NCc3ccco3)c2n1
InChIInChI=1S/C21H23N5O2/c1-15-13-16(2)23-20-19(15)21(25-9-3-4-10-25)24-26(20)11-5-8-18(27)22-14-17-7-6-12-28-17/h3-4,6-7,9-10,12-13H,5,8,11,14H2,1-2H3,(H,22,27)
InChIKeyPXNYBVRDAMRRGY-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.53
Rot. Bonds7

About 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(furan-2-ylmethyl)butanamide

4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(furan-2-ylmethyl)butanamide (PubChem CID 20948419) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(furan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(furan-2-ylmethyl)butanamide
PubChem CID20948419
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(furan-2-ylmethyl)butanamide
SMILESCc1cc(C)c2c(-n3cccc3)nn(CCCC(=O)NCc3ccco3)c2n1
InChIInChI=1S/C21H23N5O2/c1-15-13-16(2)23-20-19(15)21(25-9-3-4-10-25)24-26(20)11-5-8-18(27)22-14-17-7-6-12-28-17/h3-4,6-7,9-10,12-13H,5,8,11,14H2,1-2H3,(H,22,27)
InChIKeyPXNYBVRDAMRRGY-UHFFFAOYSA-N
XLogP3.53
TPSA77.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-[(4-methylsulfanylphenyl)methyl]butanamide
CID 20948437
4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-methoxypropyl)butanamide
CID 46340909
N-(2,5-dimethoxyphenyl)-4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)butanamide
CID 20948423
4-[(4,6-dimethylpyrimidin-2-yl)amino]-N-(furan-2-ylmethyl)butanamide
CID 108787804
2-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 20948314
N-(furan-2-ylmethyl)-4-(12-methyl-9-oxo-5-oxa-1,10,11-triazatricyclo[6.4.0.02,6]dodeca-2(6),3,7,11-tetraen-10-yl)butanamide
CID 20893626
N-(furan-2-ylmethyl)-4-(6-oxo-3-phenylpyridazin-1-yl)butanamide
CID 16884425
N-(furan-2-ylmethyl)-4-(4-oxo-1,2,3-benzotriazin-3-yl)butanamide
CID 5045478
4-(2,5-dimethylthiophen-3-yl)-N-(furan-2-ylmethyl)butanamide
CID 124510383
4-(6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 20921073
N-(furan-2-ylmethyl)-2-(7-methyl-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide
CID 53073711
4-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 3243629

Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(furan-2-ylmethyl)butanamide?
The IUPAC name of 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(furan-2-ylmethyl)butanamide (CID 20948419) is 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(furan-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(furan-2-ylmethyl)butanamide?
The canonical SMILES for 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(furan-2-ylmethyl)butanamide is Cc1cc(C)c2c(-n3cccc3)nn(CCCC(=O)NCc3ccco3)c2n1.
What is the InChIKey of 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(furan-2-ylmethyl)butanamide?
The InChIKey is PXNYBVRDAMRRGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-15-13-16(2)23-20-19(15)21(25-9-3-4-10-25)24-26(20)11-5-8-18(27)22-14-17-7-6-12-28-17/h3-4,6-7,9-10,12-13H,5,8,11,14H2,1-2H3,(H,22,27).
What are the key properties of 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(furan-2-ylmethyl)butanamide?
4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(furan-2-ylmethyl)butanamide has a molecular weight of 377.45 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethyl-3-pyrrol-1-ylpyrazolo[5,4-b]pyridin-1-yl)-N-(furan-2-ylmethyl)butanamide is sourced from PubChem (CID 20948419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).