(2S)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide

C23H31N7O2 — CID 164532337

IUPAC(2S)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide
SMILESC[C@@H](C(=O)N(C)c1cnc2nc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1)N1CCOCC1
InChIInChI=1S/C23H31N7O2/c1-14(30-7-9-32-10-8-30)22(31)29(4)15-11-17-20(24-13-15)26-21(25-17)19-16-5-6-23(2,3)12-18(16)27-28-19/h11,13-14H,5-10,12H2,1-4H3,(H,27,28)(H,24,25,26)/t14-/m0/s1
InChIKeyLTDNGNQPTIUKMK-AWEZNQCLSA-N
MW437.55 g/mol
LogP2.55
Rot. Bonds4

About (2S)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide

(2S)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide (PubChem CID 164532337) has the molecular formula C23H31N7O2 and a molecular weight of 437.55 g/mol. Its IUPAC name is (2S)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide
PubChem CID164532337
Molecular FormulaC23H31N7O2
Molecular Weight437.55 g/mol
Exact Mass437.25
IUPAC Name(2S)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide
SMILESC[C@@H](C(=O)N(C)c1cnc2nc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1)N1CCOCC1
InChIInChI=1S/C23H31N7O2/c1-14(30-7-9-32-10-8-30)22(31)29(4)15-11-17-20(24-13-15)26-21(25-17)19-16-5-6-23(2,3)12-18(16)27-28-19/h11,13-14H,5-10,12H2,1-4H3,(H,27,28)(H,24,25,26)/t14-/m0/s1
InChIKeyLTDNGNQPTIUKMK-AWEZNQCLSA-N
XLogP2.55
TPSA103.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide?
The IUPAC name of (2S)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide (CID 164532337) is (2S)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide.
What is the SMILES notation for (2S)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide?
The canonical SMILES for (2S)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide is C[C@@H](C(=O)N(C)c1cnc2nc(-c3n[nH]c4c3CCC(C)(C)C4)[nH]c2c1)N1CCOCC1.
What is the InChIKey of (2S)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide?
The InChIKey is LTDNGNQPTIUKMK-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H31N7O2/c1-14(30-7-9-32-10-8-30)22(31)29(4)15-11-17-20(24-13-15)26-21(25-17)19-16-5-6-23(2,3)12-18(16)27-28-19/h11,13-14H,5-10,12H2,1-4H3,(H,27,28)(H,24,25,26)/t14-/m0/s1.
What are the key properties of (2S)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide?
(2S)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide has a molecular weight of 437.55 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)-1H-imidazo[4,5-b]pyridin-6-yl]-N-methyl-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 164532337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).