N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide

C23H24N6O2 — CID 134325435

IUPACN-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC(=O)NC3CC3)c2)c1
InChIInChI=1S/C23H24N6O2/c1-14-2-3-15(22(30)26-17-4-5-17)8-21(14)16-10-25-29(13-16)20-9-19(11-24-12-20)28-23(31)27-18-6-7-18/h2-3,8-13,17-18H,4-7H2,1H3,(H,26,30)(H2,27,28,31)
InChIKeyNGDYVZXFYJHQDK-UHFFFAOYSA-N
MW416.49 g/mol
LogP3.42
Rot. Bonds6

About N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide

N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide (PubChem CID 134325435) has the molecular formula C23H24N6O2 and a molecular weight of 416.49 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
PubChem CID134325435
Molecular FormulaC23H24N6O2
Molecular Weight416.49 g/mol
Exact Mass416.20
IUPAC NameN-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC(=O)NC3CC3)c2)c1
InChIInChI=1S/C23H24N6O2/c1-14-2-3-15(22(30)26-17-4-5-17)8-21(14)16-10-25-29(13-16)20-9-19(11-24-12-20)28-23(31)27-18-6-7-18/h2-3,8-13,17-18H,4-7H2,1H3,(H,26,30)(H2,27,28,31)
InChIKeyNGDYVZXFYJHQDK-UHFFFAOYSA-N
XLogP3.42
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide (CID 134325435) is N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC(=O)NC3CC3)c2)c1.
What is the InChIKey of N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
The InChIKey is NGDYVZXFYJHQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2/c1-14-2-3-15(22(30)26-17-4-5-17)8-21(14)16-10-25-29(13-16)20-9-19(11-24-12-20)28-23(31)27-18-6-7-18/h2-3,8-13,17-18H,4-7H2,1H3,(H,26,30)(H2,27,28,31).
What are the key properties of N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide?
N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide has a molecular weight of 416.49 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[1-[5-(cyclopropylcarbamoylamino)-3-pyridinyl]pyrazol-4-yl]-4-methylbenzamide is sourced from PubChem (CID 134325435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).