N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H27N7O3 — CID 137449191

IUPACN-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc([C@@H]3CCCOC3)n2)nc2c(C(=O)N[C@@H]3CC[C@@H]3O)cnn12
InChIInChI=1S/C22H27N7O3/c1-23-20-10-19(27-18-6-2-5-15(25-18)13-4-3-9-32-12-13)28-21-14(11-24-29(20)21)22(31)26-16-7-8-17(16)30/h2,5-6,10-11,13,16-17,23,30H,3-4,7-9,12H2,1H3,(H,26,31)(H,25,27,28)/t13-,16-,17+/m1/s1
InChIKeyBMCSDDPYJNMORX-XYPHTWIQSA-N
MW437.50 g/mol
LogP2.06
Rot. Bonds6

About N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide

N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 137449191) has the molecular formula C22H27N7O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID137449191
Molecular FormulaC22H27N7O3
Molecular Weight437.50 g/mol
Exact Mass437.22
IUPAC NameN-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCNc1cc(Nc2cccc([C@@H]3CCCOC3)n2)nc2c(C(=O)N[C@@H]3CC[C@@H]3O)cnn12
InChIInChI=1S/C22H27N7O3/c1-23-20-10-19(27-18-6-2-5-15(25-18)13-4-3-9-32-12-13)28-21-14(11-24-29(20)21)22(31)26-16-7-8-17(16)30/h2,5-6,10-11,13,16-17,23,30H,3-4,7-9,12H2,1H3,(H,26,31)(H,25,27,28)/t13-,16-,17+/m1/s1
InChIKeyBMCSDDPYJNMORX-XYPHTWIQSA-N
XLogP2.06
TPSA125.70 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 52.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 137449191) is N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CNc1cc(Nc2cccc([C@@H]3CCCOC3)n2)nc2c(C(=O)N[C@@H]3CC[C@@H]3O)cnn12.
What is the InChIKey of N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BMCSDDPYJNMORX-XYPHTWIQSA-N. The full InChI is InChI=1S/C22H27N7O3/c1-23-20-10-19(27-18-6-2-5-15(25-18)13-4-3-9-32-12-13)28-21-14(11-24-29(20)21)22(31)26-16-7-8-17(16)30/h2,5-6,10-11,13,16-17,23,30H,3-4,7-9,12H2,1H3,(H,26,31)(H,25,27,28)/t13-,16-,17+/m1/s1.
What are the key properties of N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 437.50 g/mol, XLogP of 2.06, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-hydroxycyclobutyl]-7-(methylamino)-5-[[6-[(3S)-oxan-3-yl]-2-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 137449191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).