(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-amino-3-oxopropyl)piperidine-2-carboxamide

C19H25N9O2 — CID 24821629

IUPAC(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-amino-3-oxopropyl)piperidine-2-carboxamide
SMILESCn1cc(-c2cnn3c(N)cc([C@H]4CC[C@@H](C(=O)NCCC(N)=O)NC4)nc23)cn1
InChIInChI=1S/C19H25N9O2/c1-27-10-12(8-24-27)13-9-25-28-16(20)6-15(26-18(13)28)11-2-3-14(23-7-11)19(30)22-5-4-17(21)29/h6,8-11,14,23H,2-5,7,20H2,1H3,(H2,21,29)(H,22,30)/t11-,14-/m0/s1
InChIKeyBZEDIBYEGDQCHV-FZMZJTMJSA-N
MW411.47 g/mol
LogP-0.46
Rot. Bonds6

About (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-amino-3-oxopropyl)piperidine-2-carboxamide

(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-amino-3-oxopropyl)piperidine-2-carboxamide (PubChem CID 24821629) has the molecular formula C19H25N9O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-amino-3-oxopropyl)piperidine-2-carboxamide.

Molecular Properties

Compound Name(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-amino-3-oxopropyl)piperidine-2-carboxamide
PubChem CID24821629
Molecular FormulaC19H25N9O2
Molecular Weight411.47 g/mol
Exact Mass411.21
IUPAC Name(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-amino-3-oxopropyl)piperidine-2-carboxamide
SMILESCn1cc(-c2cnn3c(N)cc([C@H]4CC[C@@H](C(=O)NCCC(N)=O)NC4)nc23)cn1
InChIInChI=1S/C19H25N9O2/c1-27-10-12(8-24-27)13-9-25-28-16(20)6-15(26-18(13)28)11-2-3-14(23-7-11)19(30)22-5-4-17(21)29/h6,8-11,14,23H,2-5,7,20H2,1H3,(H2,21,29)(H,22,30)/t11-,14-/m0/s1
InChIKeyBZEDIBYEGDQCHV-FZMZJTMJSA-N
XLogP-0.46
TPSA158.25 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-amino-3-oxopropyl)piperidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-amino-3-oxopropyl)piperidine-2-carboxamide?
The IUPAC name of (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-amino-3-oxopropyl)piperidine-2-carboxamide (CID 24821629) is (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-amino-3-oxopropyl)piperidine-2-carboxamide.
What is the SMILES notation for (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-amino-3-oxopropyl)piperidine-2-carboxamide?
The canonical SMILES for (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-amino-3-oxopropyl)piperidine-2-carboxamide is Cn1cc(-c2cnn3c(N)cc([C@H]4CC[C@@H](C(=O)NCCC(N)=O)NC4)nc23)cn1.
What is the InChIKey of (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-amino-3-oxopropyl)piperidine-2-carboxamide?
The InChIKey is BZEDIBYEGDQCHV-FZMZJTMJSA-N. The full InChI is InChI=1S/C19H25N9O2/c1-27-10-12(8-24-27)13-9-25-28-16(20)6-15(26-18(13)28)11-2-3-14(23-7-11)19(30)22-5-4-17(21)29/h6,8-11,14,23H,2-5,7,20H2,1H3,(H2,21,29)(H,22,30)/t11-,14-/m0/s1.
What are the key properties of (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-amino-3-oxopropyl)piperidine-2-carboxamide?
(2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-amino-3-oxopropyl)piperidine-2-carboxamide has a molecular weight of 411.47 g/mol, XLogP of -0.46, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-[7-amino-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]-N-(3-amino-3-oxopropyl)piperidine-2-carboxamide is sourced from PubChem (CID 24821629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).