N-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine

C22H29N7 — CID 172904044

IUPACN-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCN(c1ccnc(C2CC2)n1)C1CCN(c2nccn3nc(C(C)(C)C)cc23)C1
InChIInChI=1S/C22H29N7/c1-22(2,3)18-13-17-21(24-10-12-29(17)26-18)28-11-8-16(14-28)27(4)19-7-9-23-20(25-19)15-5-6-15/h7,9-10,12-13,15-16H,5-6,8,11,14H2,1-4H3
InChIKeyJQGPOCQDNUFSJB-UHFFFAOYSA-N
MW391.52 g/mol
LogP3.41
Rot. Bonds4

About N-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine

N-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine (PubChem CID 172904044) has the molecular formula C22H29N7 and a molecular weight of 391.52 g/mol. Its IUPAC name is N-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
PubChem CID172904044
Molecular FormulaC22H29N7
Molecular Weight391.52 g/mol
Exact Mass391.25
IUPAC NameN-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCN(c1ccnc(C2CC2)n1)C1CCN(c2nccn3nc(C(C)(C)C)cc23)C1
InChIInChI=1S/C22H29N7/c1-22(2,3)18-13-17-21(24-10-12-29(17)26-18)28-11-8-16(14-28)27(4)19-7-9-23-20(25-19)15-5-6-15/h7,9-10,12-13,15-16H,5-6,8,11,14H2,1-4H3
InChIKeyJQGPOCQDNUFSJB-UHFFFAOYSA-N
XLogP3.41
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3S)-1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-ol
CID 104892904
N-[1-(6-tert-butylpyridazin-3-yl)azetidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 126918387
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 172904106
2-cyclopropyl-N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
CID 172901438
2-tert-butyl-4-[(3S)-3-methylpiperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 104977429
2-cyclopropyl-N-methyl-N-[1-(2-methylsulfanylpyrimidin-4-yl)pyrrolidin-3-yl]pyrimidin-4-amine
CID 172892095
2-[3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]pyrrolidin-1-yl]-5-(trifluoromethyl)benzonitrile
CID 172904596
(3S)-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-ol
CID 104892889
4-bromo-2-[3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]pyrrolidin-1-yl]benzonitrile
CID 172902299
4-[3-[(2-cyclopropylpyrimidin-4-yl)-methylamino]pyrrolidin-1-yl]-3-(trifluoromethyl)benzonitrile
CID 172902269
N-methyl-1-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]pyrrolidin-3-amine
CID 104732778
[4-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)morpholin-2-yl]methanamine
CID 104729881

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine?
The IUPAC name of N-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine (CID 172904044) is N-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine?
The canonical SMILES for N-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine is CN(c1ccnc(C2CC2)n1)C1CCN(c2nccn3nc(C(C)(C)C)cc23)C1.
What is the InChIKey of N-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine?
The InChIKey is JQGPOCQDNUFSJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N7/c1-22(2,3)18-13-17-21(24-10-12-29(17)26-18)28-11-8-16(14-28)27(4)19-7-9-23-20(25-19)15-5-6-15/h7,9-10,12-13,15-16H,5-6,8,11,14H2,1-4H3.
What are the key properties of N-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine?
N-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine has a molecular weight of 391.52 g/mol, XLogP of 3.41, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)pyrrolidin-3-yl]-2-cyclopropyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 172904044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).