2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide

C24H29F2N7O2 — CID 138727494

IUPAC2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESCCN1CCC(n2cc(NC(=O)c3coc(-c4ccnc(NCC5CC5)c4)n3)c(C(F)F)n2)CC1
InChIInChI=1S/C24H29F2N7O2/c1-2-32-9-6-17(7-10-32)33-13-18(21(31-33)22(25)26)29-23(34)19-14-35-24(30-19)16-5-8-27-20(11-16)28-12-15-3-4-15/h5,8,11,13-15,17,22H,2-4,6-7,9-10,12H2,1H3,(H,27,28)(H,29,34)
InChIKeySMBVWSSVMYYZRD-UHFFFAOYSA-N
MW485.54 g/mol
LogP4.60
Rot. Bonds9

About 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide

2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 138727494) has the molecular formula C24H29F2N7O2 and a molecular weight of 485.54 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID138727494
Molecular FormulaC24H29F2N7O2
Molecular Weight485.54 g/mol
Exact Mass485.24
IUPAC Name2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESCCN1CCC(n2cc(NC(=O)c3coc(-c4ccnc(NCC5CC5)c4)n3)c(C(F)F)n2)CC1
InChIInChI=1S/C24H29F2N7O2/c1-2-32-9-6-17(7-10-32)33-13-18(21(31-33)22(25)26)29-23(34)19-14-35-24(30-19)16-5-8-27-20(11-16)28-12-15-3-4-15/h5,8,11,13-15,17,22H,2-4,6-7,9-10,12H2,1H3,(H,27,28)(H,29,34)
InChIKeySMBVWSSVMYYZRD-UHFFFAOYSA-N
XLogP4.60
TPSA101.11 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.54
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide (CID 138727494) is 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide is CCN1CCC(n2cc(NC(=O)c3coc(-c4ccnc(NCC5CC5)c4)n3)c(C(F)F)n2)CC1.
What is the InChIKey of 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is SMBVWSSVMYYZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F2N7O2/c1-2-32-9-6-17(7-10-32)33-13-18(21(31-33)22(25)26)29-23(34)19-14-35-24(30-19)16-5-8-27-20(11-16)28-12-15-3-4-15/h5,8,11,13-15,17,22H,2-4,6-7,9-10,12H2,1H3,(H,27,28)(H,29,34).
What are the key properties of 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 485.54 g/mol, XLogP of 4.60, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethylamino)-4-pyridinyl]-N-[3-(difluoromethyl)-1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138727494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).