N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

C25H25N5O4 — CID 148609791

IUPACN-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCc1nc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCOC[C@@H]4O)nc(-n4cccn4)c3)cc2)co1
InChIInChI=1S/C25H25N5O4/c1-16-27-22(14-34-16)19-5-3-17(4-6-19)11-18-12-21(28-24(13-18)30-9-2-8-26-30)25(32)29-20-7-10-33-15-23(20)31/h2-6,8-9,12-14,20,23,31H,7,10-11,15H2,1H3,(H,29,32)/t20-,23-/m0/s1
InChIKeyNEDIDLCKSXDPPU-REWPJTCUSA-N
MW459.51 g/mol
LogP2.70
Rot. Bonds6

About N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide

N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 148609791) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID148609791
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCc1nc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCOC[C@@H]4O)nc(-n4cccn4)c3)cc2)co1
InChIInChI=1S/C25H25N5O4/c1-16-27-22(14-34-16)19-5-3-17(4-6-19)11-18-12-21(28-24(13-18)30-9-2-8-26-30)25(32)29-20-7-10-33-15-23(20)31/h2-6,8-9,12-14,20,23,31H,7,10-11,15H2,1H3,(H,29,32)/t20-,23-/m0/s1
InChIKeyNEDIDLCKSXDPPU-REWPJTCUSA-N
XLogP2.70
TPSA115.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 148609791) is N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is Cc1nc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCOC[C@@H]4O)nc(-n4cccn4)c3)cc2)co1.
What is the InChIKey of N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is NEDIDLCKSXDPPU-REWPJTCUSA-N. The full InChI is InChI=1S/C25H25N5O4/c1-16-27-22(14-34-16)19-5-3-17(4-6-19)11-18-12-21(28-24(13-18)30-9-2-8-26-30)25(32)29-20-7-10-33-15-23(20)31/h2-6,8-9,12-14,20,23,31H,7,10-11,15H2,1H3,(H,29,32)/t20-,23-/m0/s1.
What are the key properties of N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[4-(2-methyl-1,3-oxazol-4-yl)phenyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 148609791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).