N-cyclopropyl-3-[1-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide

C25H29N5O3 — CID 134325479

IUPACN-cyclopropyl-3-[1-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
SMILESCCO[C@H]1COC[C@@H]1Nc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3C)cn2)c1
InChIInChI=1S/C25H29N5O3/c1-3-33-24-15-32-14-23(24)28-20-9-21(12-26-11-20)30-13-18(10-27-30)22-8-17(5-4-16(22)2)25(31)29-19-6-7-19/h4-5,8-13,19,23-24,28H,3,6-7,14-15H2,1-2H3,(H,29,31)/t23-,24-/m0/s1
InChIKeySGOJOSNKKOPBHM-ZEQRLZLVSA-N
MW447.54 g/mol
LogP3.35
Rot. Bonds8

About N-cyclopropyl-3-[1-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide

N-cyclopropyl-3-[1-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide (PubChem CID 134325479) has the molecular formula C25H29N5O3 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
PubChem CID134325479
Molecular FormulaC25H29N5O3
Molecular Weight447.54 g/mol
Exact Mass447.23
IUPAC NameN-cyclopropyl-3-[1-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
SMILESCCO[C@H]1COC[C@@H]1Nc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3C)cn2)c1
InChIInChI=1S/C25H29N5O3/c1-3-33-24-15-32-14-23(24)28-20-9-21(12-26-11-20)30-13-18(10-27-30)22-8-17(5-4-16(22)2)25(31)29-19-6-7-19/h4-5,8-13,19,23-24,28H,3,6-7,14-15H2,1-2H3,(H,29,31)/t23-,24-/m0/s1
InChIKeySGOJOSNKKOPBHM-ZEQRLZLVSA-N
XLogP3.35
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide (CID 134325479) is N-cyclopropyl-3-[1-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide is CCO[C@H]1COC[C@@H]1Nc1cncc(-n2cc(-c3cc(C(=O)NC4CC4)ccc3C)cn2)c1.
What is the InChIKey of N-cyclopropyl-3-[1-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is SGOJOSNKKOPBHM-ZEQRLZLVSA-N. The full InChI is InChI=1S/C25H29N5O3/c1-3-33-24-15-32-14-23(24)28-20-9-21(12-26-11-20)30-13-18(10-27-30)22-8-17(5-4-16(22)2)25(31)29-19-6-7-19/h4-5,8-13,19,23-24,28H,3,6-7,14-15H2,1-2H3,(H,29,31)/t23-,24-/m0/s1.
What are the key properties of N-cyclopropyl-3-[1-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
N-cyclopropyl-3-[1-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 447.54 g/mol, XLogP of 3.35, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[5-[[(3S,4R)-4-ethoxyoxolan-3-yl]amino]-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 134325479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).