N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-5-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride

C23H25ClN6O3 — CID 118608508

IUPACN-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-5-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCc1cc(-c2nc(C(=O)Nc3cc4c(cnn4C)cc3N3CC[C@H](O)C3)c(C)o2)ccn1.Cl
InChIInChI=1S/C23H24N6O3.ClH/c1-13-8-15(4-6-24-13)23-27-21(14(2)32-23)22(31)26-18-10-19-16(11-25-28(19)3)9-20(18)29-7-5-17(30)12-29;/h4,6,8-11,17,30H,5,7,12H2,1-3H3,(H,26,31);1H/t17-;/m0./s1
InChIKeySIZWOWISBFJZKY-LMOVPXPDSA-N
MW468.95 g/mol
LogP3.49
Rot. Bonds4

About N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-5-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride

N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-5-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride (PubChem CID 118608508) has the molecular formula C23H25ClN6O3 and a molecular weight of 468.95 g/mol. Its IUPAC name is N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-5-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-5-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
PubChem CID118608508
Molecular FormulaC23H25ClN6O3
Molecular Weight468.95 g/mol
Exact Mass468.17
IUPAC NameN-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-5-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCc1cc(-c2nc(C(=O)Nc3cc4c(cnn4C)cc3N3CC[C@H](O)C3)c(C)o2)ccn1.Cl
InChIInChI=1S/C23H24N6O3.ClH/c1-13-8-15(4-6-24-13)23-27-21(14(2)32-23)22(31)26-18-10-19-16(11-25-28(19)3)9-20(18)29-7-5-17(30)12-29;/h4,6,8-11,17,30H,5,7,12H2,1-3H3,(H,26,31);1H/t17-;/m0./s1
InChIKeySIZWOWISBFJZKY-LMOVPXPDSA-N
XLogP3.49
TPSA109.31 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.95
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-5-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-5-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride (CID 118608508) is N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-5-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-5-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-5-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride is Cc1cc(-c2nc(C(=O)Nc3cc4c(cnn4C)cc3N3CC[C@H](O)C3)c(C)o2)ccn1.Cl.
What is the InChIKey of N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-5-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?
The InChIKey is SIZWOWISBFJZKY-LMOVPXPDSA-N. The full InChI is InChI=1S/C23H24N6O3.ClH/c1-13-8-15(4-6-24-13)23-27-21(14(2)32-23)22(31)26-18-10-19-16(11-25-28(19)3)9-20(18)29-7-5-17(30)12-29;/h4,6,8-11,17,30H,5,7,12H2,1-3H3,(H,26,31);1H/t17-;/m0./s1.
What are the key properties of N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-5-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?
N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-5-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride has a molecular weight of 468.95 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methylindazol-6-yl]-5-methyl-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 118608508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).