4-[(1-cyclopropylpyrrol-3-yl)amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide

C25H30N6O — CID 142557915

IUPAC4-[(1-cyclopropylpyrrol-3-yl)amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2ccc3c(c2)CCNC3)cc1Nc1ccn(C2CC2)c1
InChIInChI=1S/C25H30N6O/c1-16(2)28-25(32)22-14-27-24(30-19-4-3-18-13-26-9-7-17(18)11-19)12-23(22)29-20-8-10-31(15-20)21-5-6-21/h3-4,8,10-12,14-16,21,26H,5-7,9,13H2,1-2H3,(H,28,32)(H2,27,29,30)
InChIKeyTYJVCICBNCMTCZ-UHFFFAOYSA-N
MW430.56 g/mol
LogP4.49
Rot. Bonds7

About 4-[(1-cyclopropylpyrrol-3-yl)amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide

4-[(1-cyclopropylpyrrol-3-yl)amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide (PubChem CID 142557915) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 4-[(1-cyclopropylpyrrol-3-yl)amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(1-cyclopropylpyrrol-3-yl)amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
PubChem CID142557915
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name4-[(1-cyclopropylpyrrol-3-yl)amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cnc(Nc2ccc3c(c2)CCNC3)cc1Nc1ccn(C2CC2)c1
InChIInChI=1S/C25H30N6O/c1-16(2)28-25(32)22-14-27-24(30-19-4-3-18-13-26-9-7-17(18)11-19)12-23(22)29-20-8-10-31(15-20)21-5-6-21/h3-4,8,10-12,14-16,21,26H,5-7,9,13H2,1-2H3,(H,28,32)(H2,27,29,30)
InChIKeyTYJVCICBNCMTCZ-UHFFFAOYSA-N
XLogP4.49
TPSA83.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 54.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyridine-3-carboxamide
CID 142557248
6-(2,3-dihydro-1H-isoindol-5-ylamino)-4-[[2-(2-hydroxypropan-2-yl)-4-pyridinyl]amino]-N-propan-2-ylpyridine-3-carboxamide
CID 142557326
4-[(5-tert-butyl-1,2-oxazol-3-yl)amino]-N-cyclopropyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
CID 142557648
4-(4-fluoroanilino)-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 142557766
4-[(2-tert-butylpyrimidin-4-yl)amino]-N-ethyl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
CID 142557245
N-cyclopropyl-4-[[6-(1-hydroxy-2-methylpropan-2-yl)-2-pyridinyl]amino]-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide
CID 138554143
4-[[2-(1-cyanocyclopropyl)-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 155709224
1-(1-cyclopropylpyrrol-3-yl)-2-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazolo[3,4-d]pyrimidin-3-one
CID 138537820
4-[[2-[1-(fluoromethyl)cyclopropyl]-4-pyridinyl]amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrimidine-5-carboxamide
CID 155202965
1-propan-2-yl-3-(1,2,3,4-tetrahydroisoquinolin-6-yl)urea
CID 66935877
N-propan-2-yl-4-[(2-propan-2-yl-4-pyridinyl)amino]-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557319
4-[(2-tert-butylfuran-3-yl)amino]-N-propan-2-yl-2-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)pyrimidine-5-carboxamide
CID 142557886

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopropylpyrrol-3-yl)amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide?
The IUPAC name of 4-[(1-cyclopropylpyrrol-3-yl)amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide (CID 142557915) is 4-[(1-cyclopropylpyrrol-3-yl)amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-[(1-cyclopropylpyrrol-3-yl)amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-[(1-cyclopropylpyrrol-3-yl)amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide is CC(C)NC(=O)c1cnc(Nc2ccc3c(c2)CCNC3)cc1Nc1ccn(C2CC2)c1.
What is the InChIKey of 4-[(1-cyclopropylpyrrol-3-yl)amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide?
The InChIKey is TYJVCICBNCMTCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-16(2)28-25(32)22-14-27-24(30-19-4-3-18-13-26-9-7-17(18)11-19)12-23(22)29-20-8-10-31(15-20)21-5-6-21/h3-4,8,10-12,14-16,21,26H,5-7,9,13H2,1-2H3,(H,28,32)(H2,27,29,30).
What are the key properties of 4-[(1-cyclopropylpyrrol-3-yl)amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide?
4-[(1-cyclopropylpyrrol-3-yl)amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide has a molecular weight of 430.56 g/mol, XLogP of 4.49, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopropylpyrrol-3-yl)amino]-N-propan-2-yl-6-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 142557915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).