N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide

C21H26N6O3 — CID 118608462

IUPACN-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESCn1ncc2cc(N3CCC(O)C3)c(NC(=O)c3coc(C4CCNCC4)n3)cc21
InChIInChI=1S/C21H26N6O3/c1-26-18-9-16(19(8-14(18)10-23-26)27-7-4-15(28)11-27)24-20(29)17-12-30-21(25-17)13-2-5-22-6-3-13/h8-10,12-13,15,22,28H,2-7,11H2,1H3,(H,24,29)
InChIKeySUKXPRIIECWIKF-UHFFFAOYSA-N
MW410.48 g/mol
LogP1.85
Rot. Bonds4

About N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide

N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (PubChem CID 118608462) has the molecular formula C21H26N6O3 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
PubChem CID118608462
Molecular FormulaC21H26N6O3
Molecular Weight410.48 g/mol
Exact Mass410.21
IUPAC NameN-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESCn1ncc2cc(N3CCC(O)C3)c(NC(=O)c3coc(C4CCNCC4)n3)cc21
InChIInChI=1S/C21H26N6O3/c1-26-18-9-16(19(8-14(18)10-23-26)27-7-4-15(28)11-27)24-20(29)17-12-30-21(25-17)13-2-5-22-6-3-13/h8-10,12-13,15,22,28H,2-7,11H2,1H3,(H,24,29)
InChIKeySUKXPRIIECWIKF-UHFFFAOYSA-N
XLogP1.85
TPSA108.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (CID 118608462) is N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is Cn1ncc2cc(N3CCC(O)C3)c(NC(=O)c3coc(C4CCNCC4)n3)cc21.
What is the InChIKey of N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The InChIKey is SUKXPRIIECWIKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O3/c1-26-18-9-16(19(8-14(18)10-23-26)27-7-4-15(28)11-27)24-20(29)17-12-30-21(25-17)13-2-5-22-6-3-13/h8-10,12-13,15,22,28H,2-7,11H2,1H3,(H,24,29).
What are the key properties of N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide has a molecular weight of 410.48 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-hydroxypyrrolidin-1-yl)-1-methylindazol-6-yl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118608462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).