3-amino-6-methyl-N-[(6R)-2-piperidin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide

C25H29N5OS — CID 167543962

IUPAC3-amino-6-methyl-N-[(6R)-2-piperidin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3Cc4ccc(N5CCCCC5)nc4C4(CC4)C3)sc2n1
InChIInChI=1S/C25H29N5OS/c1-15-5-7-18-20(26)21(32-24(18)27-15)23(31)28-17-13-16-6-8-19(30-11-3-2-4-12-30)29-22(16)25(14-17)9-10-25/h5-8,17H,2-4,9-14,26H2,1H3,(H,28,31)/t17-/m0/s1
InChIKeyAJNSVOOPPAJZGU-KRWDZBQOSA-N
MW447.61 g/mol
LogP4.35
Rot. Bonds3

About 3-amino-6-methyl-N-[(6R)-2-piperidin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide

3-amino-6-methyl-N-[(6R)-2-piperidin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167543962) has the molecular formula C25H29N5OS and a molecular weight of 447.61 g/mol. Its IUPAC name is 3-amino-6-methyl-N-[(6R)-2-piperidin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-methyl-N-[(6R)-2-piperidin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID167543962
Molecular FormulaC25H29N5OS
Molecular Weight447.61 g/mol
Exact Mass447.21
IUPAC Name3-amino-6-methyl-N-[(6R)-2-piperidin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3Cc4ccc(N5CCCCC5)nc4C4(CC4)C3)sc2n1
InChIInChI=1S/C25H29N5OS/c1-15-5-7-18-20(26)21(32-24(18)27-15)23(31)28-17-13-16-6-8-19(30-11-3-2-4-12-30)29-22(16)25(14-17)9-10-25/h5-8,17H,2-4,9-14,26H2,1H3,(H,28,31)/t17-/m0/s1
InChIKeyAJNSVOOPPAJZGU-KRWDZBQOSA-N
XLogP4.35
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.61
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-6-methyl-N-[(6R)-2-piperidin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

3-amino-6-methyl-N-[(6S)-2-piperazin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 137480394
3-amino-6-methyl-N-[(6S)-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 167224690
3-amino-6-methyl-N-[(6S,8R)-8-methyl-2-piperazin-1-yl-5,6,7,8-tetrahydroquinolin-6-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 137480343
3-amino-N-[(3R)-8-chloro-7-piperidin-1-yl-3,4-dihydro-2H-chromen-3-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 167701858
3-amino-N-[(6S)-2-[(3R)-3-amino-3-(methoxymethyl)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 151045427
3-amino-N-[(6S)-2-[(3R,4R)-3-amino-4-methoxypiperidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 166492997
3-amino-N-[(6S)-2-[(5S,9S)-9-amino-1-oxa-7-azaspiro[4.4]nonan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 150163686
3-amino-N-[(6R)-2-[(3S,4S)-3-amino-4-methoxypyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137480390
3-amino-N-[2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane;propane
CID 142528416
3-amino-N-[(6S)-2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 137489555
3-amino-N-[2-[3-(2-methoxyethoxy)pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide;ethane
CID 153402334
3-amino-6-methyl-N-[(3R)-7-(5-oxa-2-azaspiro[3.4]octan-2-yl)-3,4-dihydro-2H-chromen-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 167224729

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-methyl-N-[(6R)-2-piperidin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-methyl-N-[(6R)-2-piperidin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide (CID 167543962) is 3-amino-6-methyl-N-[(6R)-2-piperidin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-methyl-N-[(6R)-2-piperidin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-methyl-N-[(6R)-2-piperidin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3Cc4ccc(N5CCCCC5)nc4C4(CC4)C3)sc2n1.
What is the InChIKey of 3-amino-6-methyl-N-[(6R)-2-piperidin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is AJNSVOOPPAJZGU-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H29N5OS/c1-15-5-7-18-20(26)21(32-24(18)27-15)23(31)28-17-13-16-6-8-19(30-11-3-2-4-12-30)29-22(16)25(14-17)9-10-25/h5-8,17H,2-4,9-14,26H2,1H3,(H,28,31)/t17-/m0/s1.
What are the key properties of 3-amino-6-methyl-N-[(6R)-2-piperidin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide?
3-amino-6-methyl-N-[(6R)-2-piperidin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 447.61 g/mol, XLogP of 4.35, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-methyl-N-[(6R)-2-piperidin-1-ylspiro[6,7-dihydro-5H-quinoline-8,1'-cyclopropane]-6-yl]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167543962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).