N-(6-cyclopropyl-1-methylindazol-5-yl)-2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide

C21H22N6O3 — CID 118226658

IUPACN-(6-cyclopropyl-1-methylindazol-5-yl)-2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESC[C@H](O)Cn1cc(-c2nc(C(=O)Nc3cc4cnn(C)c4cc3C3CC3)co2)cn1
InChIInChI=1S/C21H22N6O3/c1-12(28)9-27-10-15(8-23-27)21-25-18(11-30-21)20(29)24-17-5-14-7-22-26(2)19(14)6-16(17)13-3-4-13/h5-8,10-13,28H,3-4,9H2,1-2H3,(H,24,29)/t12-/m0/s1
InChIKeyQCIXXCFOFJWRCN-LBPRGKRZSA-N
MW406.45 g/mol
LogP2.94
Rot. Bonds6

About N-(6-cyclopropyl-1-methylindazol-5-yl)-2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide

N-(6-cyclopropyl-1-methylindazol-5-yl)-2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 118226658) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-(6-cyclopropyl-1-methylindazol-5-yl)-2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(6-cyclopropyl-1-methylindazol-5-yl)-2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID118226658
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC NameN-(6-cyclopropyl-1-methylindazol-5-yl)-2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESC[C@H](O)Cn1cc(-c2nc(C(=O)Nc3cc4cnn(C)c4cc3C3CC3)co2)cn1
InChIInChI=1S/C21H22N6O3/c1-12(28)9-27-10-15(8-23-27)21-25-18(11-30-21)20(29)24-17-5-14-7-22-26(2)19(14)6-16(17)13-3-4-13/h5-8,10-13,28H,3-4,9H2,1-2H3,(H,24,29)/t12-/m0/s1
InChIKeyQCIXXCFOFJWRCN-LBPRGKRZSA-N
XLogP2.94
TPSA111.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(6-cyclopropyl-1-methylindazol-5-yl)-2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(6-cyclopropyl-1-methylindazol-5-yl)-2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide (CID 118226658) is N-(6-cyclopropyl-1-methylindazol-5-yl)-2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(6-cyclopropyl-1-methylindazol-5-yl)-2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(6-cyclopropyl-1-methylindazol-5-yl)-2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide is C[C@H](O)Cn1cc(-c2nc(C(=O)Nc3cc4cnn(C)c4cc3C3CC3)co2)cn1.
What is the InChIKey of N-(6-cyclopropyl-1-methylindazol-5-yl)-2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is QCIXXCFOFJWRCN-LBPRGKRZSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-12(28)9-27-10-15(8-23-27)21-25-18(11-30-21)20(29)24-17-5-14-7-22-26(2)19(14)6-16(17)13-3-4-13/h5-8,10-13,28H,3-4,9H2,1-2H3,(H,24,29)/t12-/m0/s1.
What are the key properties of N-(6-cyclopropyl-1-methylindazol-5-yl)-2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
N-(6-cyclopropyl-1-methylindazol-5-yl)-2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-cyclopropyl-1-methylindazol-5-yl)-2-[1-[(2S)-2-hydroxypropyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118226658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).