tert-butyl N-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate

C24H29N7O4 — CID 137450431

IUPACtert-butyl N-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate
SMILESCOc1ncccc1Nc1cc(N(C(=O)OC(C)(C)C)C2CC2)n2ncc(C(=O)NC3CC3)c2n1
InChIInChI=1S/C24H29N7O4/c1-24(2,3)35-23(33)30(15-9-10-15)19-12-18(28-17-6-5-11-25-22(17)34-4)29-20-16(13-26-31(19)20)21(32)27-14-7-8-14/h5-6,11-15H,7-10H2,1-4H3,(H,27,32)(H,28,29)
InChIKeyJEAVWVZXHYGAAU-UHFFFAOYSA-N
MW479.54 g/mol
LogP3.67
Rot. Bonds7

About tert-butyl N-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate

tert-butyl N-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate (PubChem CID 137450431) has the molecular formula C24H29N7O4 and a molecular weight of 479.54 g/mol. Its IUPAC name is tert-butyl N-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate
PubChem CID137450431
Molecular FormulaC24H29N7O4
Molecular Weight479.54 g/mol
Exact Mass479.23
IUPAC Nametert-butyl N-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate
SMILESCOc1ncccc1Nc1cc(N(C(=O)OC(C)(C)C)C2CC2)n2ncc(C(=O)NC3CC3)c2n1
InChIInChI=1S/C24H29N7O4/c1-24(2,3)35-23(33)30(15-9-10-15)19-12-18(28-17-6-5-11-25-22(17)34-4)29-20-16(13-26-31(19)20)21(32)27-14-7-8-14/h5-6,11-15H,7-10H2,1-4H3,(H,27,32)(H,28,29)
InChIKeyJEAVWVZXHYGAAU-UHFFFAOYSA-N
XLogP3.67
TPSA122.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze tert-butyl N-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate?
The IUPAC name of tert-butyl N-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate (CID 137450431) is tert-butyl N-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate.
What is the SMILES notation for tert-butyl N-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate?
The canonical SMILES for tert-butyl N-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate is COc1ncccc1Nc1cc(N(C(=O)OC(C)(C)C)C2CC2)n2ncc(C(=O)NC3CC3)c2n1.
What is the InChIKey of tert-butyl N-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate?
The InChIKey is JEAVWVZXHYGAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O4/c1-24(2,3)35-23(33)30(15-9-10-15)19-12-18(28-17-6-5-11-25-22(17)34-4)29-20-16(13-26-31(19)20)21(32)27-14-7-8-14/h5-6,11-15H,7-10H2,1-4H3,(H,27,32)(H,28,29).
What are the key properties of tert-butyl N-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate?
tert-butyl N-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate has a molecular weight of 479.54 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate is sourced from PubChem (CID 137450431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).