3-[5-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[3-methyl-4-(methylamino)piperidin-1-yl]prop-2-en-1-one

About 3-[5-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[3-methyl-4-(methylamino)piperidin-1-yl]prop-2-en-1-one

3-[5-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[3-methyl-4-(methylamino)piperidin-1-yl]prop-2-en-1-one (PubChem CID 176981970) has the molecular formula C33H39N7O and a molecular weight of 549.72 g/mol. Its IUPAC name is 3-[5-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[3-methyl-4-(methylamino)piperidin-1-yl]prop-2-en-1-one.

Molecular Properties

Compound Name	3-[5-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[3-methyl-4-(methylamino)piperidin-1-yl]prop-2-en-1-one
PubChem CID	176981970
Molecular Formula	C33H39N7O
Molecular Weight	549.72 g/mol
Exact Mass	549.32
IUPAC Name	3-[5-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[3-methyl-4-(methylamino)piperidin-1-yl]prop-2-en-1-one
SMILES	C=CC(=O)N1CCC(NC)C(C)C1.Nc1ncccc1-c1nc2ccc(C3CC3)nc2n1-c1ccc2c(c1)CCC2
InChI	InChI=1S/C23H21N5.C10H18N2O/c24-21-18(5-2-12-25-21)22-27-20-11-10-19(15-6-7-15)26-23(20)28(22)17-9-8-14-3-1-4-16(14)13-17;1-4-10(13)12-6-5-9(11-3)8(2)7-12/h2,5,8-13,15H,1,3-4,6-7H2,(H2,24,25);4,8-9,11H,1,5-7H2,2-3H3
InChIKey	PUBKAQRRYIXJCO-UHFFFAOYSA-N
XLogP	5.06
TPSA	101.96 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	41
Complexity	—

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	549.72
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 3-[5-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[3-methyl-4-(methylamino)piperidin-1-yl]prop-2-en-1-one?

The IUPAC name of 3-[5-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[3-methyl-4-(methylamino)piperidin-1-yl]prop-2-en-1-one (CID 176981970) is 3-[5-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[3-methyl-4-(methylamino)piperidin-1-yl]prop-2-en-1-one.

What is the SMILES notation for 3-[5-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[3-methyl-4-(methylamino)piperidin-1-yl]prop-2-en-1-one?

The canonical SMILES for 3-[5-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[3-methyl-4-(methylamino)piperidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCC(NC)C(C)C1.Nc1ncccc1-c1nc2ccc(C3CC3)nc2n1-c1ccc2c(c1)CCC2.

What is the InChIKey of 3-[5-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[3-methyl-4-(methylamino)piperidin-1-yl]prop-2-en-1-one?

The InChIKey is PUBKAQRRYIXJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5.C10H18N2O/c24-21-18(5-2-12-25-21)22-27-20-11-10-19(15-6-7-15)26-23(20)28(22)17-9-8-14-3-1-4-16(14)13-17;1-4-10(13)12-6-5-9(11-3)8(2)7-12/h2,5,8-13,15H,1,3-4,6-7H2,(H2,24,25);4,8-9,11H,1,5-7H2,2-3H3.

What are the key properties of 3-[5-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[3-methyl-4-(methylamino)piperidin-1-yl]prop-2-en-1-one?

3-[5-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[3-methyl-4-(methylamino)piperidin-1-yl]prop-2-en-1-one has a molecular weight of 549.72 g/mol, XLogP of 5.06, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-cyclopropyl-3-(2,3-dihydro-1H-inden-5-yl)imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine;1-[3-methyl-4-(methylamino)piperidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 176981970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).