N-cyclopropyl-4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide

C28H35N5O3 — CID 58653513

IUPACN-cyclopropyl-4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc(N3CCC[C@@]4(CCN(C5CCC(O)CC5)C4=O)C3)nc2)cc1
InChIInChI=1S/C28H35N5O3/c34-24-10-8-23(9-11-24)33-15-13-28(26(33)36)12-1-14-32(18-28)27-29-16-21(17-30-27)19-2-4-20(5-3-19)25(35)31-22-6-7-22/h2-5,16-17,22-24,34H,1,6-15,18H2,(H,31,35)/t23?,24?,28-/m1/s1
InChIKeyBQZAEFMEWICGCD-IGSWUVHTSA-N
MW489.62 g/mol
LogP3.16
Rot. Bonds5

About N-cyclopropyl-4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide

N-cyclopropyl-4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide (PubChem CID 58653513) has the molecular formula C28H35N5O3 and a molecular weight of 489.62 g/mol. Its IUPAC name is N-cyclopropyl-4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide
PubChem CID58653513
Molecular FormulaC28H35N5O3
Molecular Weight489.62 g/mol
Exact Mass489.27
IUPAC NameN-cyclopropyl-4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide
SMILESO=C(NC1CC1)c1ccc(-c2cnc(N3CCC[C@@]4(CCN(C5CCC(O)CC5)C4=O)C3)nc2)cc1
InChIInChI=1S/C28H35N5O3/c34-24-10-8-23(9-11-24)33-15-13-28(26(33)36)12-1-14-32(18-28)27-29-16-21(17-30-27)19-2-4-20(5-3-19)25(35)31-22-6-7-22/h2-5,16-17,22-24,34H,1,6-15,18H2,(H,31,35)/t23?,24?,28-/m1/s1
InChIKeyBQZAEFMEWICGCD-IGSWUVHTSA-N
XLogP3.16
TPSA98.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide (CID 58653513) is N-cyclopropyl-4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide is O=C(NC1CC1)c1ccc(-c2cnc(N3CCC[C@@]4(CCN(C5CCC(O)CC5)C4=O)C3)nc2)cc1.
What is the InChIKey of N-cyclopropyl-4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide?
The InChIKey is BQZAEFMEWICGCD-IGSWUVHTSA-N. The full InChI is InChI=1S/C28H35N5O3/c34-24-10-8-23(9-11-24)33-15-13-28(26(33)36)12-1-14-32(18-28)27-29-16-21(17-30-27)19-2-4-20(5-3-19)25(35)31-22-6-7-22/h2-5,16-17,22-24,34H,1,6-15,18H2,(H,31,35)/t23?,24?,28-/m1/s1.
What are the key properties of N-cyclopropyl-4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide?
N-cyclopropyl-4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide has a molecular weight of 489.62 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[2-[(5R)-2-(4-hydroxycyclohexyl)-1-oxo-2,9-diazaspiro[4.5]decan-9-yl]pyrimidin-5-yl]benzamide is sourced from PubChem (CID 58653513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).