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

C24H25N7O3 — CID 149011106

IUPACN-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCOC[C@@H]4O)nc(-n4cccn4)c3)cn2)cn1
InChIInChI=1S/C24H25N7O3/c1-30-14-18(13-27-30)19-4-3-16(12-25-19)9-17-10-21(28-23(11-17)31-7-2-6-26-31)24(33)29-20-5-8-34-15-22(20)32/h2-4,6-7,10-14,20,22,32H,5,8-9,15H2,1H3,(H,29,33)/t20-,22-/m0/s1
InChIKeyQBNVVQAWHMOLAB-UNMCSNQZSA-N
MW459.51 g/mol
LogP1.53
Rot. Bonds6

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

N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (PubChem CID 149011106) has the molecular formula C24H25N7O3 and a molecular weight of 459.51 g/mol. Its IUPAC name is N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
PubChem CID149011106
Molecular FormulaC24H25N7O3
Molecular Weight459.51 g/mol
Exact Mass459.20
IUPAC NameN-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide
SMILESCn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCOC[C@@H]4O)nc(-n4cccn4)c3)cn2)cn1
InChIInChI=1S/C24H25N7O3/c1-30-14-18(13-27-30)19-4-3-16(12-25-19)9-17-10-21(28-23(11-17)31-7-2-6-26-31)24(33)29-20-5-8-34-15-22(20)32/h2-4,6-7,10-14,20,22,32H,5,8-9,15H2,1H3,(H,29,33)/t20-,22-/m0/s1
InChIKeyQBNVVQAWHMOLAB-UNMCSNQZSA-N
XLogP1.53
TPSA119.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

CID 122604219
CID 122604219
CID 122604308
CID 122604308
CID 165129691
CID 165129691
CID 137641993
CID 137641993
CID 117871558
CID 117871558
CID 117872315
CID 117872315
CID 117872492
CID 117872492
CID 118663182
CID 118663182
CID 137701968
CID 137701968
CID 145982518
CID 145982518
CID 145983366
CID 145983366
CID 145984556
CID 145984556

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The IUPAC name of N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide (CID 149011106) is N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is Cn1cc(-c2ccc(Cc3cc(C(=O)N[C@H]4CCOC[C@@H]4O)nc(-n4cccn4)c3)cn2)cn1.
What is the InChIKey of N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
The InChIKey is QBNVVQAWHMOLAB-UNMCSNQZSA-N. The full InChI is InChI=1S/C24H25N7O3/c1-30-14-18(13-27-30)19-4-3-16(12-25-19)9-17-10-21(28-23(11-17)31-7-2-6-26-31)24(33)29-20-5-8-34-15-22(20)32/h2-4,6-7,10-14,20,22,32H,5,8-9,15H2,1H3,(H,29,33)/t20-,22-/m0/s1.
What are the key properties of N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide?
N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide has a molecular weight of 459.51 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-hydroxyoxan-4-yl]-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-6-pyrazol-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 149011106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).