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

C23H30N6O2 — CID 144999835

IUPAC(2S)-N-[6-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridin-2-yl]-2-morpholin-4-ylpropanamide
SMILESC[C@@H](C(=O)Nc1cn2cc(-c3n[nH]c4c3CCC(C)(C)C4)ccc2n1)N1CCOCC1
InChIInChI=1S/C23H30N6O2/c1-15(28-8-10-31-11-9-28)22(30)25-19-14-29-13-16(4-5-20(29)24-19)21-17-6-7-23(2,3)12-18(17)26-27-21/h4-5,13-15H,6-12H2,1-3H3,(H,25,30)(H,26,27)/t15-/m0/s1
InChIKeyNTRTWHDRPVGHAQ-HNNXBMFYSA-N
MW422.53 g/mol
LogP2.90
Rot. Bonds4

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

(2S)-N-[6-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridin-2-yl]-2-morpholin-4-ylpropanamide (PubChem CID 144999835) has the molecular formula C23H30N6O2 and a molecular weight of 422.53 g/mol. Its IUPAC name is (2S)-N-[6-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridin-2-yl]-2-morpholin-4-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[6-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridin-2-yl]-2-morpholin-4-ylpropanamide
PubChem CID144999835
Molecular FormulaC23H30N6O2
Molecular Weight422.53 g/mol
Exact Mass422.24
IUPAC Name(2S)-N-[6-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridin-2-yl]-2-morpholin-4-ylpropanamide
SMILESC[C@@H](C(=O)Nc1cn2cc(-c3n[nH]c4c3CCC(C)(C)C4)ccc2n1)N1CCOCC1
InChIInChI=1S/C23H30N6O2/c1-15(28-8-10-31-11-9-28)22(30)25-19-14-29-13-16(4-5-20(29)24-19)21-17-6-7-23(2,3)12-18(17)26-27-21/h4-5,13-15H,6-12H2,1-3H3,(H,25,30)(H,26,27)/t15-/m0/s1
InChIKeyNTRTWHDRPVGHAQ-HNNXBMFYSA-N
XLogP2.90
TPSA87.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[6-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridin-2-yl]-2-morpholin-4-ylpropanamide?
The IUPAC name of (2S)-N-[6-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridin-2-yl]-2-morpholin-4-ylpropanamide (CID 144999835) is (2S)-N-[6-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridin-2-yl]-2-morpholin-4-ylpropanamide.
What is the SMILES notation for (2S)-N-[6-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridin-2-yl]-2-morpholin-4-ylpropanamide?
The canonical SMILES for (2S)-N-[6-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridin-2-yl]-2-morpholin-4-ylpropanamide is C[C@@H](C(=O)Nc1cn2cc(-c3n[nH]c4c3CCC(C)(C)C4)ccc2n1)N1CCOCC1.
What is the InChIKey of (2S)-N-[6-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridin-2-yl]-2-morpholin-4-ylpropanamide?
The InChIKey is NTRTWHDRPVGHAQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H30N6O2/c1-15(28-8-10-31-11-9-28)22(30)25-19-14-29-13-16(4-5-20(29)24-19)21-17-6-7-23(2,3)12-18(17)26-27-21/h4-5,13-15H,6-12H2,1-3H3,(H,25,30)(H,26,27)/t15-/m0/s1.
What are the key properties of (2S)-N-[6-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridin-2-yl]-2-morpholin-4-ylpropanamide?
(2S)-N-[6-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridin-2-yl]-2-morpholin-4-ylpropanamide has a molecular weight of 422.53 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[6-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)imidazo[1,2-a]pyridin-2-yl]-2-morpholin-4-ylpropanamide is sourced from PubChem (CID 144999835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).