N-(2-fluoroethyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide

C21H28FN5O2 — CID 118450557

IUPACN-(2-fluoroethyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
SMILESCc1cnn(-c2ccncc2N2CCC(C(=O)N(CCF)[C@@H]3CCOC3)CC2)c1
InChIInChI=1S/C21H28FN5O2/c1-16-12-24-27(14-16)19-2-7-23-13-20(19)25-8-3-17(4-9-25)21(28)26(10-6-22)18-5-11-29-15-18/h2,7,12-14,17-18H,3-6,8-11,15H2,1H3/t18-/m1/s1
InChIKeyMFHINDAPTQRDCV-GOSISDBHSA-N
MW401.49 g/mol
LogP2.38
Rot. Bonds6

About N-(2-fluoroethyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide

N-(2-fluoroethyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide (PubChem CID 118450557) has the molecular formula C21H28FN5O2 and a molecular weight of 401.49 g/mol. Its IUPAC name is N-(2-fluoroethyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluoroethyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
PubChem CID118450557
Molecular FormulaC21H28FN5O2
Molecular Weight401.49 g/mol
Exact Mass401.22
IUPAC NameN-(2-fluoroethyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide
SMILESCc1cnn(-c2ccncc2N2CCC(C(=O)N(CCF)[C@@H]3CCOC3)CC2)c1
InChIInChI=1S/C21H28FN5O2/c1-16-12-24-27(14-16)19-2-7-23-13-20(19)25-8-3-17(4-9-25)21(28)26(10-6-22)18-5-11-29-15-18/h2,7,12-14,17-18H,3-6,8-11,15H2,1H3/t18-/m1/s1
InChIKeyMFHINDAPTQRDCV-GOSISDBHSA-N
XLogP2.38
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.49
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Cholesterol 24-hydroxylase-IN-1
CID 118450616
1-(4-(4-cyclopropyl-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450464
N,N-dimethyl-1-[4-[4-(trifluoromethyl)pyrazol-1-yl]pyridin-3-yl]piperidine-4-carboxamide
CID 118450657
N,N-dimethyl-1-(4-pyrazol-1-yl-3-pyridinyl)piperidine-4-carboxamide
CID 118450716
1-(4-(4-bromo-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450728
1-(4-(4-chloro-1H-pyrazol-1-yl)pyridin-3-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 118450730
N,N-dimethyl-1-[4-(3-methylpyrazol-1-yl)-3-pyridinyl]piperidine-4-carboxamide
CID 118450576
US9963443, Reference Example 5
CID 76283990
US9963443, Reference Example 20
CID 76284254
US9963443, Reference Example 26
CID 76284255
US9963443, Reference Example 4
CID 118450573
US9963443, Reference Example 3
CID 118450643

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoroethyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-(2-fluoroethyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide (CID 118450557) is N-(2-fluoroethyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-(2-fluoroethyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-(2-fluoroethyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide is Cc1cnn(-c2ccncc2N2CCC(C(=O)N(CCF)[C@@H]3CCOC3)CC2)c1.
What is the InChIKey of N-(2-fluoroethyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
The InChIKey is MFHINDAPTQRDCV-GOSISDBHSA-N. The full InChI is InChI=1S/C21H28FN5O2/c1-16-12-24-27(14-16)19-2-7-23-13-20(19)25-8-3-17(4-9-25)21(28)26(10-6-22)18-5-11-29-15-18/h2,7,12-14,17-18H,3-6,8-11,15H2,1H3/t18-/m1/s1.
What are the key properties of N-(2-fluoroethyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide?
N-(2-fluoroethyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide has a molecular weight of 401.49 g/mol, XLogP of 2.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoroethyl)-1-[4-(4-methylpyrazol-1-yl)-3-pyridinyl]-N-[(3R)-oxolan-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 118450557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).