N-(cyclopropylmethyl)-2-[(4R)-2,2-dimethylpiperidin-4-yl]-7,9-difluoro-3-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxamide

C27H35F2N5O2 — CID 178145142

IUPACN-(cyclopropylmethyl)-2-[(4R)-2,2-dimethylpiperidin-4-yl]-7,9-difluoro-3-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxamide
SMILESCc1c2c(nn1[C@@H]1CCNC(C)(C)C1)-c1c(F)cc(F)cc1OC21CCN(C(=O)NCC2CC2)CC1
InChIInChI=1S/C27H35F2N5O2/c1-16-23-24(32-34(16)19-6-9-31-26(2,3)14-19)22-20(29)12-18(28)13-21(22)36-27(23)7-10-33(11-8-27)25(35)30-15-17-4-5-17/h12-13,17,19,31H,4-11,14-15H2,1-3H3,(H,30,35)/t19-/m1/s1
InChIKeySFLKESLPRVMHHL-LJQANCHMSA-N
MW499.61 g/mol
LogP4.64
Rot. Bonds3

About N-(cyclopropylmethyl)-2-[(4R)-2,2-dimethylpiperidin-4-yl]-7,9-difluoro-3-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxamide

N-(cyclopropylmethyl)-2-[(4R)-2,2-dimethylpiperidin-4-yl]-7,9-difluoro-3-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxamide (PubChem CID 178145142) has the molecular formula C27H35F2N5O2 and a molecular weight of 499.61 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-2-[(4R)-2,2-dimethylpiperidin-4-yl]-7,9-difluoro-3-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-2-[(4R)-2,2-dimethylpiperidin-4-yl]-7,9-difluoro-3-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxamide
PubChem CID178145142
Molecular FormulaC27H35F2N5O2
Molecular Weight499.61 g/mol
Exact Mass499.28
IUPAC NameN-(cyclopropylmethyl)-2-[(4R)-2,2-dimethylpiperidin-4-yl]-7,9-difluoro-3-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxamide
SMILESCc1c2c(nn1[C@@H]1CCNC(C)(C)C1)-c1c(F)cc(F)cc1OC21CCN(C(=O)NCC2CC2)CC1
InChIInChI=1S/C27H35F2N5O2/c1-16-23-24(32-34(16)19-6-9-31-26(2,3)14-19)22-20(29)12-18(28)13-21(22)36-27(23)7-10-33(11-8-27)25(35)30-15-17-4-5-17/h12-13,17,19,31H,4-11,14-15H2,1-3H3,(H,30,35)/t19-/m1/s1
InChIKeySFLKESLPRVMHHL-LJQANCHMSA-N
XLogP4.64
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.61
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(cyclopropylmethyl)-2-[(4R)-2,2-dimethylpiperidin-4-yl]-7,9-difluoro-3-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-2-[(4R)-2,2-dimethylpiperidin-4-yl]-7,9-difluoro-3-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-2-[(4R)-2,2-dimethylpiperidin-4-yl]-7,9-difluoro-3-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxamide (CID 178145142) is N-(cyclopropylmethyl)-2-[(4R)-2,2-dimethylpiperidin-4-yl]-7,9-difluoro-3-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-2-[(4R)-2,2-dimethylpiperidin-4-yl]-7,9-difluoro-3-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-2-[(4R)-2,2-dimethylpiperidin-4-yl]-7,9-difluoro-3-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxamide is Cc1c2c(nn1[C@@H]1CCNC(C)(C)C1)-c1c(F)cc(F)cc1OC21CCN(C(=O)NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-2-[(4R)-2,2-dimethylpiperidin-4-yl]-7,9-difluoro-3-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxamide?
The InChIKey is SFLKESLPRVMHHL-LJQANCHMSA-N. The full InChI is InChI=1S/C27H35F2N5O2/c1-16-23-24(32-34(16)19-6-9-31-26(2,3)14-19)22-20(29)12-18(28)13-21(22)36-27(23)7-10-33(11-8-27)25(35)30-15-17-4-5-17/h12-13,17,19,31H,4-11,14-15H2,1-3H3,(H,30,35)/t19-/m1/s1.
What are the key properties of N-(cyclopropylmethyl)-2-[(4R)-2,2-dimethylpiperidin-4-yl]-7,9-difluoro-3-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxamide?
N-(cyclopropylmethyl)-2-[(4R)-2,2-dimethylpiperidin-4-yl]-7,9-difluoro-3-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxamide has a molecular weight of 499.61 g/mol, XLogP of 4.64, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-2-[(4R)-2,2-dimethylpiperidin-4-yl]-7,9-difluoro-3-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carboxamide is sourced from PubChem (CID 178145142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).