N-[(3R,4R)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide

C26H28FN7O3 — CID 164607315

IUPACN-[(3R,4R)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCN(CC2CC2)C[C@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cn2)on1
InChIInChI=1S/C26H28FN7O3/c27-17-4-5-20(30-13-17)22-12-21(33-37-22)24(36)31-19-6-11-34(14-16-2-3-16)15-18(19)23(35)32-26(7-8-26)25-28-9-1-10-29-25/h1,4-5,9-10,12-13,16,18-19H,2-3,6-8,11,14-15H2,(H,31,36)(H,32,35)/t18-,19-/m1/s1
InChIKeyFXLCKGOVWPGHNS-RTBURBONSA-N
MW505.55 g/mol
LogP2.30
Rot. Bonds8

About N-[(3R,4R)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide

N-[(3R,4R)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide (PubChem CID 164607315) has the molecular formula C26H28FN7O3 and a molecular weight of 505.55 g/mol. Its IUPAC name is N-[(3R,4R)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide
PubChem CID164607315
Molecular FormulaC26H28FN7O3
Molecular Weight505.55 g/mol
Exact Mass505.22
IUPAC NameN-[(3R,4R)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCN(CC2CC2)C[C@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cn2)on1
InChIInChI=1S/C26H28FN7O3/c27-17-4-5-20(30-13-17)22-12-21(33-37-22)24(36)31-19-6-11-34(14-16-2-3-16)15-18(19)23(35)32-26(7-8-26)25-28-9-1-10-29-25/h1,4-5,9-10,12-13,16,18-19H,2-3,6-8,11,14-15H2,(H,31,36)(H,32,35)/t18-,19-/m1/s1
InChIKeyFXLCKGOVWPGHNS-RTBURBONSA-N
XLogP2.30
TPSA126.14 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.55
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(3R,4R)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3R,4R)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide (CID 164607315) is N-[(3R,4R)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide is O=C(N[C@@H]1CCN(CC2CC2)C[C@H]1C(=O)NC1(c2ncccn2)CC1)c1cc(-c2ccc(F)cn2)on1.
What is the InChIKey of N-[(3R,4R)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide?
The InChIKey is FXLCKGOVWPGHNS-RTBURBONSA-N. The full InChI is InChI=1S/C26H28FN7O3/c27-17-4-5-20(30-13-17)22-12-21(33-37-22)24(36)31-19-6-11-34(14-16-2-3-16)15-18(19)23(35)32-26(7-8-26)25-28-9-1-10-29-25/h1,4-5,9-10,12-13,16,18-19H,2-3,6-8,11,14-15H2,(H,31,36)(H,32,35)/t18-,19-/m1/s1.
What are the key properties of N-[(3R,4R)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide?
N-[(3R,4R)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide has a molecular weight of 505.55 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-(cyclopropylmethyl)-3-[(1-pyrimidin-2-ylcyclopropyl)carbamoyl]piperidin-4-yl]-5-(5-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 164607315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).